1,3,5-Triiodo-2-methoxybenzene

Base Information

• Chemical Name: 1,3,5-Triiodo-2-methoxybenzene
• CAS No.: 63238-41-5
• Molecular Formula: C7H5I3O
• Molecular Weight: 485.83
• DSSTox Substance ID: DTXSID00596519
• Nikkaji Number: J2.333.211F
• Wikidata: Q82491799

Synonyms:1,3,5-triiodo-2-methoxybenzene;63238-41-5;Benzene, 1,3,5-triiodo-2-methoxy-;2,4,6-Triiodoanisole;SCHEMBL1530694;DTXSID00596519;HLRLRKWYERBJCY-UHFFFAOYSA-N;DB-215794;CS-0167008;E82073

Chemical Property of 1,3,5-Triiodo-2-methoxybenzene

Chemical Property:

• PSA: 9.23000
• LogP: 3.50900
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 485.7475
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1I)I)I

Technology Process of 1,3,5-Triiodo-2-methoxybenzene

There total 8 articles about 1,3,5-Triiodo-2-methoxybenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2,4,6-Triiodophenol (609-23-4,72100-00-6) + dimethyl sulfate (77-78-1) → 1,3,5-triiodo-2-methoxybenzene (63238-41-5)

Guidance literature:

With potassium carbonate; In acetonitrile; Reflux; Inert atmosphere;

DOI:10.1002/anie.201705873

Reference yield: 98.0%

2,4,6-Triiodophenol (609-23-4,72100-00-6) + methyl iodide (74-88-4) → 1,3,5-triiodo-2-methoxybenzene (63238-41-5)

Guidance literature:

With potassium carbonate; In acetone; for 3h; Heating;

DOI:10.1021/jo0617868 DOI:10.1021/ja064742p DOI:10.1055/s-2006-941583

Reference yield: 94.0%

2,4,6-Triiodophenol (609-23-4,72100-00-6) → 1,3,5-triiodo-2-methoxybenzene (63238-41-5)

Guidance literature:

With methanol; diazomethyl-trimethyl-silane; In tert-butyl methyl ether; at 0 - 20 ℃; for 4h;

upstream raw materials:

2,4,6-Triiodophenol

dimethyl sulfate

methyl iodide

phenol

Downstream raw materials:

(3-tert-butoxycarbonylmethylsulfanyl-5-iodo-2-methoxyphenylsulfanyl)acetic acid tert-butyl ester

5-iodo-2-methoxybenzene-1,3-diol

1-(3,5-diiodo-4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione

[2-(8-methoxy-2,3,5,6-tetrahydrobenzo[1,2-b;5,4-b']difuran-4-yl)ethyl]carbamic acid benzyl ester

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